BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

1H-thieno[2,3-b][1,4]thiazin-2-one

1H-thieno[2,3-b][1,4]thiazin-2-one bmse012092 - Data

1H-thieno[2,3-b][1,4]thiazin-2-one synonyms

Wikipedia:

Graphical representations:

1H-thieno[2,3-b][1,4]thiazin-2-one

View large 3D structure

Molecular Formula: C6H5NOS2

Natural Isotopic Abundance Mass: 171.24

Mono-Isotopic Molecular Masses:

  • C12N14: 170.981255785
  • C13N14: 177.00138481300002
  • C12N15: 171.978290678
  • C13N15: 177.99841970600002

InChI string: InChI=1S/C6H5NOS2/c8-5-3-10-6-4(7-5)1-2-9-6/h1-2H,3H2,(H,7,8)

EU-OPENSCREEN: EOS102814

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)